==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 18-NOV-10 3PNB . COMPND 2 MOLECULE: PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR T.J.WUBBEN,A.D.MESECAR . 628 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30029.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 429 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 91 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 32 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 211 33.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 4 1 5 1 5 0 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 0 1 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M 0 0 175 0, 0.0 2,-0.1 0, 0.0 225,-0.1 0.000 360.0 360.0 360.0 -51.7 29.1 -43.7 45.2 2 2 A T + 0 0 15 80,-0.1 28,-1.2 25,-0.0 2,-0.3 -0.481 360.0 172.0 -78.4 151.0 25.8 -45.6 46.0 3 3 A G E -a 30 0A 6 26,-0.2 80,-0.4 -2,-0.1 2,-0.3 -0.997 20.1-164.1-159.2 153.9 23.4 -46.5 43.2 4 4 A A E -a 31 0A 0 26,-2.0 28,-2.4 -2,-0.3 2,-0.4 -0.993 13.8-141.6-140.6 147.4 20.3 -48.4 42.2 5 5 A V E -ab 32 85A 0 79,-2.3 81,-2.6 -2,-0.3 28,-0.2 -0.929 6.1-160.0-107.6 131.5 18.7 -49.6 38.9 6 6 A C E -a 33 0A 4 26,-3.1 28,-1.5 -2,-0.4 2,-0.2 -0.885 22.1-168.4-109.0 96.9 14.9 -49.5 38.4 7 7 A P E +a 34 0A 21 0, 0.0 2,-0.3 0, 0.0 28,-0.2 -0.501 22.6 114.7 -90.7 155.1 14.2 -51.9 35.5 8 8 A G E -a 35 0A 25 26,-1.7 28,-2.2 -2,-0.2 -2,-0.0 -0.941 66.1-104.1 169.2 174.2 11.0 -52.4 33.6 9 9 A S - 0 0 41 -2,-0.3 4,-0.1 26,-0.2 -1,-0.1 0.682 42.8-161.8 -91.4 -24.4 9.2 -52.1 30.2 10 10 A F > - 0 0 6 2,-0.2 3,-0.7 1,-0.2 44,-0.1 0.886 11.8-178.4 42.5 61.2 7.4 -49.0 31.3 11 11 A D T 3 S- 0 0 6 1,-0.7 33,-0.3 33,-0.0 -1,-0.2 -0.671 87.1 -7.4-123.2 76.1 4.7 -49.2 28.6 12 12 A P T 3 S- 0 0 1 0, 0.0 -1,-0.7 0, 0.0 -2,-0.2 0.652 92.7-122.3 -96.8 173.9 3.6 -46.7 29.8 13 13 A V < - 0 0 1 -3,-0.7 2,-0.2 37,-0.2 135,-0.1 -0.439 33.2-157.7 -63.4 138.0 5.2 -45.4 33.1 14 14 A T > - 0 0 2 130,-0.1 4,-2.0 -2,-0.1 3,-0.3 -0.692 33.8-104.7-113.3 169.7 2.6 -45.0 35.9 15 15 A L H > S+ 0 0 32 128,-2.4 4,-1.7 1,-0.2 129,-0.1 0.667 122.9 62.6 -68.3 -15.4 2.5 -43.0 39.1 16 16 A G H > S+ 0 0 5 127,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.886 104.6 45.2 -69.4 -42.9 3.2 -46.3 40.8 17 17 A H H > S+ 0 0 55 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.910 112.6 51.5 -63.8 -43.8 6.6 -46.4 38.9 18 18 A V H X S+ 0 0 7 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.873 104.0 57.0 -64.9 -39.1 7.3 -42.8 39.8 19 19 A D H X S+ 0 0 18 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.929 110.0 45.4 -55.5 -46.7 6.6 -43.4 43.5 20 20 A I H X S+ 0 0 10 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.887 109.7 54.1 -65.0 -40.6 9.3 -46.0 43.4 21 21 A F H X S+ 0 0 3 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.915 109.2 50.2 -57.0 -43.7 11.7 -43.8 41.4 22 22 A E H X S+ 0 0 75 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.882 109.7 49.1 -63.9 -42.0 11.2 -41.2 44.1 23 23 A R H X S+ 0 0 12 -4,-1.9 4,-0.9 2,-0.2 -1,-0.2 0.913 114.5 45.7 -63.6 -44.5 11.9 -43.6 47.0 24 24 A A H >X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 3,-0.7 0.911 110.6 52.8 -64.6 -44.1 15.1 -44.8 45.2 25 25 A A H 3< S+ 0 0 9 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.797 109.2 50.7 -63.8 -29.3 16.3 -41.3 44.4 26 26 A A H 3< S+ 0 0 69 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.704 117.9 37.2 -78.9 -22.1 15.9 -40.3 48.1 27 27 A Q H << S+ 0 0 8 -4,-0.9 2,-0.3 -3,-0.7 -2,-0.2 0.558 113.5 52.2-111.7 -12.9 17.9 -43.2 49.4 28 28 A F S < S- 0 0 5 -4,-1.8 -25,-0.1 -5,-0.1 3,-0.1 -0.922 74.6-127.6-124.9 152.5 20.7 -43.7 46.8 29 29 A D S S+ 0 0 53 -2,-0.3 2,-0.4 1,-0.2 -26,-0.2 0.898 97.0 19.3 -61.5 -42.5 23.2 -41.3 45.3 30 30 A E E -a 3 0A 46 -28,-1.2 -26,-2.0 -6,-0.1 2,-0.4 -0.987 63.2-165.7-133.6 141.4 22.2 -42.3 41.8 31 31 A V E -ac 4 64A 0 32,-2.4 34,-2.1 -2,-0.4 2,-0.5 -0.995 5.4-165.4-123.4 132.0 19.2 -44.0 40.2 32 32 A V E -ac 5 65A 1 -28,-2.4 -26,-3.1 -2,-0.4 2,-0.7 -0.979 11.7-148.0-115.2 123.4 19.1 -45.4 36.7 33 33 A V E -ac 6 66A 0 32,-3.0 34,-2.6 -2,-0.5 2,-0.7 -0.834 16.9-156.6 -87.8 114.6 15.8 -46.2 35.1 34 34 A A E -ac 7 67A 0 -28,-1.5 -26,-1.7 -2,-0.7 2,-0.8 -0.856 5.6-160.3 -97.9 115.4 16.5 -49.2 32.8 35 35 A I E -ac 8 68A 0 32,-2.1 34,-2.3 -2,-0.7 2,-0.4 -0.848 15.6-165.7 -94.8 105.9 14.0 -49.6 29.9 36 36 A L E - c 0 69A 31 -28,-2.2 2,-0.4 -2,-0.8 34,-0.2 -0.796 18.6-121.2-101.0 134.7 14.4 -53.2 28.8 37 37 A V - 0 0 74 32,-1.1 -28,-0.1 -2,-0.4 5,-0.1 -0.592 24.9-138.4 -80.1 122.1 12.9 -54.5 25.5 38 38 A N - 0 0 88 -2,-0.4 5,-0.1 1,-0.1 -1,-0.1 -0.320 27.6 -93.6 -75.7 160.0 10.4 -57.3 25.7 39 39 A P S S- 0 0 82 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.275 74.8 -49.8 -56.3-167.7 10.3 -60.3 23.4 40 40 A A S S+ 0 0 102 1,-0.2 2,-1.9 2,-0.0 -2,-0.1 0.777 117.7 97.2 -37.8 -33.4 8.1 -60.4 20.2 41 41 A K + 0 0 149 1,-0.0 -1,-0.2 0, 0.0 -3,-0.1 -0.413 63.4 179.2 -64.3 85.3 5.4 -59.4 22.6 42 42 A T - 0 0 126 -2,-1.9 2,-0.1 1,-0.1 4,-0.1 -0.329 10.2-142.2 -90.8 173.4 5.5 -55.6 21.8 43 43 A G - 0 0 33 2,-0.3 -1,-0.1 -2,-0.1 3,-0.0 -0.192 29.3 -77.3-124.1-157.7 3.4 -53.0 23.3 44 44 A M S S+ 0 0 32 -33,-0.3 2,-0.4 1,-0.1 -2,-0.0 0.927 105.4 44.5 -78.3 -47.9 1.5 -49.8 22.8 45 45 A F S S- 0 0 3 1,-0.0 -2,-0.3 2,-0.0 -1,-0.1 -0.794 78.2-127.3-102.6 144.3 4.4 -47.3 22.9 46 46 A D > - 0 0 92 -2,-0.4 4,-2.3 -4,-0.1 3,-0.3 -0.295 36.0 -94.1 -80.1 168.1 7.7 -47.5 21.1 47 47 A L H > S+ 0 0 46 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.906 120.5 50.7 -53.3 -45.7 11.0 -47.1 22.8 48 48 A D H > S+ 0 0 119 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.868 112.0 46.7 -63.1 -39.0 11.5 -43.4 22.1 49 49 A E H > S+ 0 0 46 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.915 111.7 52.7 -69.7 -36.0 8.1 -42.5 23.5 50 50 A R H X S+ 0 0 22 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.917 110.5 47.3 -60.8 -46.9 8.7 -44.7 26.5 51 51 A I H X S+ 0 0 32 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.940 113.3 48.3 -57.6 -51.6 12.0 -42.9 27.2 52 52 A A H X S+ 0 0 28 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.864 109.6 52.6 -60.2 -40.4 10.4 -39.5 26.8 53 53 A M H X S+ 0 0 1 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.922 112.2 44.5 -63.5 -44.3 7.5 -40.4 29.1 54 54 A V H X S+ 0 0 0 -4,-2.0 4,-0.5 2,-0.2 -2,-0.2 0.905 115.0 50.1 -64.5 -42.1 9.8 -41.5 31.9 55 55 A K H >< S+ 0 0 84 -4,-2.6 3,-1.0 1,-0.2 -2,-0.2 0.926 111.3 45.7 -63.2 -48.7 12.1 -38.4 31.3 56 56 A E H 3< S+ 0 0 68 -4,-2.7 3,-0.5 1,-0.2 -1,-0.2 0.740 112.8 52.8 -67.7 -23.6 9.2 -35.8 31.4 57 57 A S H 3< S+ 0 0 11 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.517 110.5 46.8 -88.8 -7.3 7.8 -37.5 34.5 58 58 A T X< + 0 0 8 -3,-1.0 3,-1.6 -4,-0.5 6,-0.2 0.040 67.4 116.5-126.3 26.2 11.0 -37.4 36.5 59 59 A T T 3 S+ 0 0 118 -3,-0.5 -1,-0.1 1,-0.3 -2,-0.1 0.724 72.9 64.4 -67.6 -21.0 12.3 -33.8 36.0 60 60 A H T 3 S+ 0 0 97 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.399 91.7 70.9 -83.4 2.9 11.9 -33.3 39.8 61 61 A L X - 0 0 22 -3,-1.6 3,-1.3 1,-0.1 -1,-0.2 -0.844 58.0-179.6-123.1 94.1 14.6 -35.9 40.5 62 62 A P T 3 S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.727 79.1 59.3 -68.5 -23.4 18.0 -34.5 39.4 63 63 A N T 3 S+ 0 0 35 -35,-0.1 -32,-2.4 -38,-0.1 2,-0.4 0.121 90.9 90.7 -92.4 21.9 19.9 -37.7 40.5 64 64 A L E < +c 31 0A 20 -3,-1.3 2,-0.3 -6,-0.2 -32,-0.2 -0.967 49.5 178.0-121.9 130.4 18.0 -39.9 38.1 65 65 A R E -c 32 0A 49 -34,-2.1 -32,-3.0 -2,-0.4 2,-0.4 -0.885 20.7-131.1-124.1 163.4 18.8 -40.8 34.5 66 66 A V E +c 33 0A 14 -2,-0.3 2,-0.3 -34,-0.2 -32,-0.2 -0.923 26.7 170.0-118.6 136.8 17.1 -43.0 31.9 67 67 A Q E -c 34 0A 18 -34,-2.6 -32,-2.1 -2,-0.4 2,-0.2 -0.993 29.7-122.9-149.6 136.9 18.8 -45.7 29.7 68 68 A V E -c 35 0A 20 -2,-0.3 2,-0.3 -34,-0.2 -32,-0.2 -0.489 25.3-161.5 -73.6 142.4 17.8 -48.5 27.4 69 69 A G E -c 36 0A 4 -34,-2.3 -32,-1.1 -2,-0.2 4,-0.1 -0.952 13.6-175.1-124.4 153.0 19.0 -52.0 28.1 70 70 A H + 0 0 110 -2,-0.3 3,-0.1 -34,-0.2 2,-0.1 0.549 65.4 18.8-123.8 -15.0 19.1 -55.0 25.6 71 71 A G S S- 0 0 59 1,-0.3 2,-0.1 2,-0.0 -2,-0.1 -0.067 108.1 -3.7-127.2-133.9 20.2 -58.1 27.5 72 72 A L > - 0 0 91 1,-0.1 4,-1.8 -2,-0.1 -1,-0.3 -0.443 55.2-134.5 -67.0 138.4 20.3 -59.3 31.1 73 73 A V H > S+ 0 0 27 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.883 107.7 56.8 -60.2 -36.5 19.3 -56.8 33.8 74 74 A V H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.840 104.0 51.8 -64.7 -34.2 22.4 -57.8 35.8 75 75 A D H > S+ 0 0 98 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.904 110.9 48.4 -67.7 -41.7 24.7 -57.0 32.9 76 76 A F H X S+ 0 0 13 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.941 112.5 48.6 -58.5 -49.9 23.0 -53.6 32.7 77 77 A V H ><>S+ 0 0 0 -4,-2.7 5,-2.1 1,-0.2 3,-0.7 0.936 114.5 44.2 -57.5 -51.3 23.4 -53.1 36.5 78 78 A R H ><5S+ 0 0 130 -4,-2.6 3,-1.8 1,-0.2 -1,-0.2 0.879 109.0 56.1 -63.3 -41.0 27.1 -54.1 36.5 79 79 A S H 3<5S+ 0 0 21 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.703 104.4 55.5 -65.8 -20.5 27.9 -52.0 33.4 80 80 A C T <<5S- 0 0 8 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.442 121.1-110.1 -86.9 -4.5 26.5 -49.0 35.2 81 81 A G T < 5S+ 0 0 48 -3,-1.8 2,-0.2 156,-0.3 -3,-0.2 0.721 80.9 116.3 81.0 24.2 29.0 -49.6 38.1 82 82 A M < - 0 0 23 -5,-2.1 -1,-0.3 -6,-0.2 -2,-0.1 -0.708 51.0-163.9-121.1 168.6 26.2 -50.7 40.5 83 83 A T + 0 0 44 -80,-0.4 29,-2.6 -2,-0.2 2,-0.4 0.165 63.3 85.4-136.7 17.9 25.1 -53.8 42.4 84 84 A A E - d 0 112A 0 -81,-0.2 -79,-2.3 27,-0.2 2,-0.4 -0.976 48.0-165.9-131.5 137.0 21.5 -53.0 43.3 85 85 A I E -bd 5 113A 2 27,-2.8 29,-3.3 -2,-0.4 2,-0.5 -0.953 11.1-157.3-111.0 135.9 18.0 -53.3 41.7 86 86 A V E - d 0 114A 2 -81,-2.6 2,-0.4 -2,-0.4 29,-0.2 -0.976 15.3-179.0-114.0 125.6 15.0 -51.5 43.3 87 87 A K E - d 0 115A 46 27,-2.7 29,-2.2 -2,-0.5 2,-0.2 -0.976 20.3-128.2-128.4 139.3 11.6 -53.0 42.4 88 88 A G E - d 0 116A 25 -2,-0.4 2,-0.5 27,-0.2 29,-0.2 -0.544 12.2-147.1 -86.0 147.3 8.1 -51.8 43.4 89 89 A L E + d 0 117A 11 27,-2.7 29,-2.9 -2,-0.2 2,-0.3 -0.962 26.3 162.7-114.1 131.2 5.4 -54.0 45.0 90 90 A R > - 0 0 93 -2,-0.5 3,-1.9 27,-0.2 2,-0.4 -0.830 51.2 -70.9-134.1 171.1 1.8 -53.3 44.2 91 91 A T T 3 S+ 0 0 100 32,-2.7 3,-0.1 -2,-0.3 -2,-0.0 -0.575 125.0 26.9 -63.7 122.5 -1.6 -55.1 44.5 92 92 A G T 3 S+ 0 0 62 -2,-0.4 -1,-0.3 1,-0.4 2,-0.2 0.361 84.6 144.6 100.8 -4.5 -1.4 -57.8 41.8 93 93 A T < - 0 0 31 -3,-1.9 2,-1.5 1,-0.1 -1,-0.4 -0.470 55.1-127.4 -61.6 134.0 2.4 -58.1 41.8 94 94 A D > + 0 0 94 1,-0.2 4,-2.2 -2,-0.2 3,-0.3 -0.712 35.4 174.4 -79.7 87.4 3.6 -61.7 41.2 95 95 A F H > S+ 0 0 26 -2,-1.5 4,-3.0 1,-0.2 5,-0.3 0.928 73.0 62.6 -62.1 -46.9 5.8 -61.8 44.2 96 96 A E H > S+ 0 0 142 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.857 110.4 41.5 -46.5 -40.2 6.6 -65.5 43.7 97 97 A Y H > S+ 0 0 123 -3,-0.3 4,-2.7 2,-0.2 5,-0.3 0.946 110.4 54.6 -74.3 -51.3 8.2 -64.5 40.4 98 98 A E H X S+ 0 0 31 -4,-2.2 4,-2.5 1,-0.3 -2,-0.2 0.892 109.8 49.2 -49.0 -45.1 9.9 -61.4 41.6 99 99 A L H X S+ 0 0 46 -4,-3.0 4,-2.7 2,-0.2 -1,-0.3 0.878 109.1 51.7 -64.4 -40.0 11.6 -63.5 44.3 100 100 A Q H X S+ 0 0 125 -4,-1.2 4,-2.4 -5,-0.3 -2,-0.2 0.937 112.6 45.4 -60.8 -47.8 12.7 -66.1 41.8 101 101 A M H X S+ 0 0 50 -4,-2.7 4,-3.2 2,-0.2 -2,-0.2 0.889 111.7 53.0 -62.3 -42.0 14.3 -63.4 39.6 102 102 A A H X S+ 0 0 9 -4,-2.5 4,-2.2 -5,-0.3 -2,-0.2 0.922 111.5 45.4 -58.5 -49.9 15.9 -61.8 42.6 103 103 A Q H X S+ 0 0 49 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.899 115.2 47.4 -61.7 -44.4 17.5 -65.1 43.6 104 104 A M H X S+ 0 0 100 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.928 111.9 49.8 -60.3 -46.2 18.6 -65.8 40.1 105 105 A N H X S+ 0 0 20 -4,-3.2 4,-1.4 1,-0.2 6,-1.2 0.872 111.5 49.1 -63.5 -38.7 20.0 -62.3 39.6 106 106 A K H X S+ 0 0 61 -4,-2.2 4,-1.6 4,-0.2 -1,-0.2 0.893 112.8 48.9 -63.3 -42.6 21.9 -62.7 42.9 107 107 A H H < S+ 0 0 157 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.909 115.1 41.0 -65.2 -45.0 23.3 -66.1 41.8 108 108 A I H < S+ 0 0 79 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.735 138.2 3.7 -82.4 -22.8 24.5 -65.1 38.4 109 109 A A H < S- 0 0 32 -4,-1.4 -3,-0.2 -5,-0.2 -2,-0.2 0.377 92.4-110.1-144.8 2.6 26.1 -61.7 39.1 110 110 A G < + 0 0 36 -4,-1.6 2,-0.4 -5,-0.3 -4,-0.2 0.685 63.4 154.8 70.4 19.2 25.9 -61.0 42.9 111 111 A V - 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0 0 0 -6,-1.2 -1,-0.2 -9,-0.1 -27,-0.2 -0.703 35.5-141.3 -87.6 125.8 10.3 -43.8 56.5 586 112 D D E - i 0 558A 5 -29,-2.7 -27,-2.7 -2,-0.5 2,-0.5 -0.573 8.0-148.2 -82.4 146.5 10.8 -46.1 53.5 587 113 D T E - i 0 559A 9 -2,-0.2 2,-0.5 -29,-0.2 -470,-0.4 -0.976 7.1-163.0-119.2 125.3 11.2 -49.9 54.0 588 114 D F E - i 0 560A 0 -29,-3.7 -27,-2.8 -2,-0.5 2,-0.4 -0.916 7.2-157.1-106.8 125.1 13.4 -52.0 51.7 589 115 D F E -Ei 115 561A 1 -474,-2.9 -474,-3.3 -2,-0.5 2,-0.4 -0.840 11.2-178.3-102.9 139.7 12.8 -55.7 51.6 590 116 D V E - i 0 562A 1 -29,-2.1 -27,-2.2 -2,-0.4 2,-0.4 -1.000 27.7-119.0-138.5 136.3 15.5 -58.2 50.5 591 117 D A E - i 0 563A 8 -478,-0.4 -27,-0.2 -2,-0.4 -478,-0.1 -0.593 31.3-123.9 -75.7 128.3 15.4 -62.0 50.2 592 118 D T - 0 0 8 -29,-2.8 5,-0.1 -2,-0.4 -102,-0.1 -0.347 41.5 -82.1 -65.6 150.9 17.9 -63.8 52.4 593 119 D A > - 0 0 15 -103,-0.1 3,-1.7 1,-0.1 -1,-0.1 -0.258 42.1-116.0 -52.5 138.6 20.4 -66.2 50.7 594 120 D P G > S+ 0 0 79 0, 0.0 3,-1.7 0, 0.0 4,-0.2 0.833 113.5 58.0 -50.4 -41.3 18.7 -69.7 50.1 595 121 D R G 3 S+ 0 0 175 1,-0.3 3,-0.2 2,-0.1 -105,-0.1 0.788 117.1 34.8 -61.4 -27.0 21.1 -71.5 52.4 596 122 D Y G < S+ 0 0 39 -3,-1.7 3,-0.4 1,-0.1 -1,-0.3 0.077 90.4 103.7-111.5 22.6 20.0 -69.2 55.3 597 123 D S S < S+ 0 0 25 -3,-1.7 -32,-3.8 1,-0.2 -1,-0.1 0.591 80.2 44.5 -84.6 -12.8 16.4 -68.9 54.1 598 124 D F S S+ 0 0 114 -4,-0.2 2,-0.4 -3,-0.2 -1,-0.2 0.336 88.4 102.4-114.8 4.7 14.7 -71.3 56.6 599 125 D V + 0 0 5 -3,-0.4 2,-0.3 4,-0.1 -111,-0.1 -0.718 40.2 165.6 -88.8 137.3 16.5 -70.2 59.8 600 126 D S > - 0 0 13 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.957 45.8-112.0-140.0 161.8 14.7 -68.0 62.4 601 127 D S H > S+ 0 0 20 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.938 115.6 44.6 -57.9 -50.6 15.5 -67.1 66.0 602 128 D S H > S+ 0 0 80 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.892 116.4 45.3 -64.9 -41.9 12.6 -69.0 67.5 603 129 D L H > S+ 0 0 80 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.882 111.3 52.6 -70.4 -38.7 13.0 -72.1 65.3 604 130 D A H X S+ 0 0 3 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.920 112.1 46.8 -60.7 -44.3 16.8 -72.2 65.9 605 131 D K H X S+ 0 0 42 -4,-2.2 4,-2.9 -5,-0.2 -2,-0.2 0.937 111.6 50.7 -60.6 -49.9 16.2 -72.0 69.7 606 132 D E H < S+ 0 0 125 -4,-2.3 4,-0.5 1,-0.2 -2,-0.2 0.928 115.6 41.2 -55.4 -51.3 13.4 -74.7 69.5 607 133 D V H ><>S+ 0 0 56 -4,-2.5 5,-3.0 1,-0.2 3,-0.9 0.911 116.0 49.8 -64.0 -45.5 15.6 -77.2 67.6 608 134 D A H ><5S+ 0 0 19 -4,-2.6 3,-2.2 1,-0.2 -2,-0.2 0.926 107.1 53.4 -61.3 -47.0 18.8 -76.4 69.6 609 135 D M T 3<5S+ 0 0 90 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.574 108.1 52.1 -68.8 -10.0 17.1 -76.9 73.0 610 136 D L T < 5S- 0 0 147 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.236 129.3 -97.6-105.0 9.1 15.9 -80.3 71.8 611 137 D G T < 5S+ 0 0 72 -3,-2.2 -3,-0.2 1,-0.3 -2,-0.1 0.495 73.4 148.1 94.1 6.6 19.5 -81.3 70.8 612 138 D G < - 0 0 30 -5,-3.0 2,-1.0 -6,-0.2 -1,-0.3 -0.432 51.3-116.1 -77.1 148.5 19.3 -80.5 67.1 613 139 D D + 0 0 136 1,-0.1 3,-0.2 -2,-0.1 -1,-0.1 -0.727 48.3 150.8 -90.4 100.3 22.3 -79.3 65.2 614 140 D V > + 0 0 14 -2,-1.0 3,-2.4 1,-0.1 -1,-0.1 0.115 33.1 120.0-108.1 19.5 21.7 -75.7 63.9 615 141 D S G > S+ 0 0 42 1,-0.3 3,-1.0 2,-0.2 8,-0.1 0.792 72.7 53.7 -59.7 -31.3 25.4 -74.8 64.0 616 142 D E G 3 S+ 0 0 161 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.630 104.7 57.2 -76.2 -11.9 25.5 -74.1 60.3 617 143 D L G < S+ 0 0 26 -3,-2.4 -128,-0.7 2,-0.1 -127,-0.3 -0.005 106.9 48.8-106.6 27.4 22.6 -71.7 60.7 618 144 D L S < S- 0 0 4 -3,-1.0 -130,-0.1 -130,-0.2 5,-0.1 -0.982 90.9 -90.9-159.8 150.7 24.2 -69.4 63.2 619 145 D P >> - 0 0 11 0, 0.0 4,-2.1 0, 0.0 3,-0.6 -0.324 43.1-113.9 -59.7 148.8 27.4 -67.5 63.9 620 146 D E H 3> S+ 0 0 96 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.880 117.0 56.0 -54.0 -43.5 30.0 -69.4 65.8 621 147 D P H 3> S+ 0 0 18 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.868 108.5 48.8 -56.7 -36.0 29.7 -67.0 68.8 622 148 D V H <> S+ 0 0 0 -3,-0.6 4,-1.6 2,-0.2 -2,-0.2 0.890 108.8 53.1 -69.2 -41.1 26.0 -67.8 68.9 623 149 D N H X S+ 0 0 10 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.875 105.5 54.6 -57.9 -41.3 26.7 -71.5 68.7 624 150 D R H X S+ 0 0 117 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.910 110.6 45.9 -61.9 -40.3 29.1 -71.2 71.7 625 151 D R H X S+ 0 0 41 -4,-1.4 4,-0.5 1,-0.2 -1,-0.2 0.734 108.7 52.9 -75.9 -26.8 26.4 -69.6 73.8 626 152 D L H < S+ 0 0 14 -4,-1.6 3,-0.4 1,-0.2 -1,-0.2 0.806 107.6 54.2 -76.9 -28.2 23.7 -72.1 72.9 627 153 D R H >< S+ 0 0 124 -4,-1.6 3,-0.9 1,-0.2 4,-0.3 0.692 99.2 61.8 -72.5 -28.6 26.0 -74.8 73.9 628 154 D D H >< S+ 0 0 114 -4,-0.8 3,-0.5 1,-0.2 -1,-0.2 0.733 96.1 61.1 -69.1 -25.8 26.5 -73.3 77.3 629 155 D R T 3< S+ 0 0 118 -4,-0.5 -1,-0.2 -3,-0.4 -2,-0.1 0.138 82.0 81.2 -93.1 19.5 22.8 -73.7 78.1 630 156 D L T < 0 0 127 -3,-0.9 -1,-0.2 -19,-0.0 -2,-0.1 0.783 360.0 360.0 -88.6 -33.5 22.8 -77.5 77.8 631 157 D N < 0 0 175 -3,-0.5 -3,-0.1 -4,-0.3 -4,-0.0 -0.095 360.0 360.0-155.4 360.0 24.2 -77.9 81.4